2-[[ethyl(methyl)amino]methyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione

C19H17N3O2 — CID 53371968

IUPAC2-[[ethyl(methyl)amino]methyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione
SMILESCCN(C)Cc1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C19H17N3O2/c1-3-22(2)10-15-20-14-9-8-13-16(17(14)21-15)19(24)12-7-5-4-6-11(12)18(13)23/h4-9H,3,10H2,1-2H3,(H,20,21)
InChIKeyWWXKIYNBYXFAJS-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.79
Rot. Bonds3

About 2-[[ethyl(methyl)amino]methyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione

2-[[ethyl(methyl)amino]methyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione (PubChem CID 53371968) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[[ethyl(methyl)amino]methyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione.

Molecular Properties

Compound Name2-[[ethyl(methyl)amino]methyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione
PubChem CID53371968
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-[[ethyl(methyl)amino]methyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione
SMILESCCN(C)Cc1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C19H17N3O2/c1-3-22(2)10-15-20-14-9-8-13-16(17(14)21-15)19(24)12-7-5-4-6-11(12)18(13)23/h4-9H,3,10H2,1-2H3,(H,20,21)
InChIKeyWWXKIYNBYXFAJS-UHFFFAOYSA-N
XLogP2.79
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

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2-Phenylbenzimidazole-4-carboxamide
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2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-1,3-benzodiazole-4-carboxamide
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CID 11960920

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(methyl)amino]methyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione?
The IUPAC name of 2-[[ethyl(methyl)amino]methyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione (CID 53371968) is 2-[[ethyl(methyl)amino]methyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione.
What is the SMILES notation for 2-[[ethyl(methyl)amino]methyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione?
The canonical SMILES for 2-[[ethyl(methyl)amino]methyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione is CCN(C)Cc1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O.
What is the InChIKey of 2-[[ethyl(methyl)amino]methyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione?
The InChIKey is WWXKIYNBYXFAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-3-22(2)10-15-20-14-9-8-13-16(17(14)21-15)19(24)12-7-5-4-6-11(12)18(13)23/h4-9H,3,10H2,1-2H3,(H,20,21).
What are the key properties of 2-[[ethyl(methyl)amino]methyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione?
2-[[ethyl(methyl)amino]methyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione has a molecular weight of 319.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(methyl)amino]methyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione is sourced from PubChem (CID 53371968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).